Should you encounter any unexpected behaviour,
please let us know.

* 3BLH_A_VS_4bcg_A *

B-factor analysis for ID 22051216393486404

Overall B-factor prediction

Correlation= 0.174 for 291 C-alpha atoms.

B-factors for all residues

Residue-by-residue B-factor prediction for CA atoms

B-factors are computed based on the first 100 normal modes (B-PREDICT) and are scaled to match the overall B-factors in the submitted model (B-SCALED). A high correlation with the observations is an indicator that the normal modes capture well the overall flexibility features of the model. Comparison of the observed (B-OBS, blue) and the computed (B-SCALED, red) B-factors for all C-alpha atoms is presented below. Differences between B-factors from normal mode analysis and from X-ray crystallographic data may for example indicate regions where the protein flexibility is modified due to external factors such as tight crystall-packing.

ATOM TYP RES RESID B-PREDICT B-SCALED B-OBS	B-SCALED	B-OBS
2 CA VAL 8 1.7138 422.6794 115.5700
9 CA GLU 9 0.9770 271.1443 98.8800
18 CA CYS 10 0.2927 130.4060 75.5000
24 CA PRO 11 0.3033 132.5815 62.5000
31 CA PHE 12 0.2053 112.4371 55.2900
42 CA CYS 13 0.0827 87.2047 59.2800
48 CA ASP 14 0.0556 81.6410 56.5200
56 CA GLU 15 0.0517 80.8410 66.8600
65 CA VAL 16 0.0311 76.5984 57.1000
72 CA SER 17 0.0517 80.8407 59.7900
78 CA LYS 18 0.0473 79.9256 58.0000
87 CA TYR 19 0.0358 77.5695 58.7200
99 CA GLU 20 0.0498 80.4387 69.6500
108 CA LYS 21 0.0476 80.0037 70.8100
117 CA LEU 22 0.0625 83.0565 83.3700
125 CA ALA 23 0.0734 85.3048 89.9500
130 CA LYS 24 0.0811 86.8918 95.6400
139 CA ILE 25 0.0897 88.6549 99.2100
147 CA GLY 26 0.1174 94.3464 120.1300
151 CA GLN 27 0.0999 90.7480 128.9200
160 CA GLY 28 0.0772 86.0813 116.0400
164 CA THR 29 0.0813 86.9178 111.2200
171 CA PHE 30 0.0494 80.3744 98.7900
182 CA GLY 31 0.0587 82.2868 98.3200
186 CA GLU 32 0.0602 82.5884 91.4900
195 CA VAL 33 0.0453 79.5302 77.9800
202 CA PHE 34 0.0374 77.8884 67.5200
213 CA LYS 35 0.0333 77.0561 65.9600
222 CA ALA 36 0.0324 76.8693 59.3300
227 CA ARG 37 0.0405 78.5271 65.3100
238 CA HIS 38 0.0476 80.0031 57.4800
248 CA ARG 39 0.0737 85.3638 56.8600
259 CA LYS 40 0.1402 99.0454 57.7000
268 CA THR 41 0.1285 96.6234 59.3400
275 CA GLY 42 0.0743 85.4963 55.5600
279 CA GLN 43 0.0547 81.4520 63.1400
288 CA LYS 44 0.0328 76.9526 62.0600
297 CA VAL 45 0.0203 74.3832 62.7900
304 CA ALA 46 0.0191 74.1267 61.1600
309 CA LEU 47 0.0173 73.7699 56.2700
317 CA LYS 48 0.0214 74.6090 59.0500
326 CA LYS 49 0.0292 76.2046 65.4600
335 CA VAL 50 0.0349 77.3852 72.1500
342 CA GLU 55 0.3193 135.8792 107.9900
351 CA LYS 56 0.5033 173.7179 88.0600
360 CA GLU 57 0.3324 138.5641 56.2600
369 CA GLY 58 0.2891 129.6684 50.7800
373 CA PHE 59 0.0791 86.4715 45.2200
384 CA PRO 60 0.0590 82.3481 56.8500
391 CA ILE 61 0.0593 82.4050 41.4700
399 CA THR 62 0.0384 78.1122 54.9100
406 CA ALA 63 0.0263 75.6132 50.4800
411 CA LEU 64 0.0337 77.1340 51.6400
419 CA ARG 65 0.0207 74.4576 48.6300
430 CA GLU 66 0.0161 73.5122 49.7800
439 CA ILE 67 0.0175 73.8107 49.4000
447 CA LYS 68 0.0202 74.3650 47.9500
456 CA ILE 69 0.0143 73.1490 41.5000
464 CA LEU 70 0.0129 72.8651 43.3400
472 CA GLN 71 0.0192 74.1438 48.5500
481 CA LEU 72 0.0188 74.0704 39.3600
489 CA LEU 73 0.0141 73.0979 45.2200
497 CA LYS 74 0.0158 73.4629 47.4500
506 CA HIS 75 0.0175 73.8113 44.0600
516 CA GLU 76 0.0208 74.4782 52.6900
525 CA ASN 77 0.0117 72.6063 46.5800
533 CA VAL 78 0.0120 72.6751 40.8400
540 CA VAL 79 0.0128 72.8448 48.6700
547 CA ASN 80 0.0121 72.6936 43.6400
555 CA LEU 81 0.0140 73.0792 52.6700
563 CA ILE 82 0.0146 73.2178 51.1900
571 CA GLU 83 0.0197 74.2625 45.5100
580 CA ILE 84 0.0173 73.7592 53.0900
588 CA CYS 85 0.0245 75.2434 50.4800
594 CA ARG 86 0.0408 78.5901 56.6700
605 CA THR 87 0.0655 83.6760 84.6900
612 CA SER 98 0.0584 82.2179 90.1200
618 CA ILE 99 0.0319 76.7671 57.4300
626 CA TYR 100 0.0173 73.7657 54.8500
638 CA LEU 101 0.0133 72.9368 48.3000
646 CA VAL 102 0.0103 72.3287 52.9200
653 CA PHE 103 0.0129 72.8505 53.7100
664 CA ASP 104 0.0183 73.9626 63.4600
672 CA PHE 105 0.0215 74.6319 64.8500
683 CA CYS 106 0.0211 74.5534 70.3200
689 CA GLU 107 0.0333 77.0596 80.8600
698 CA HIS 108 0.0249 75.3256 80.5900
708 CA ASP 109 0.0193 74.1712 74.5600
716 CA LEU 110 0.0141 73.0978 65.6500
724 CA ALA 111 0.0187 74.0607 67.4500
729 CA GLY 112 0.0319 76.7681 73.6000
733 CA LEU 113 0.0264 75.6383 74.1100
741 CA LEU 114 0.0219 74.7079 82.0400
749 CA SER 115 0.0408 78.5923 92.9600
755 CA ASN 116 0.0681 84.2138 106.3400
763 CA VAL 117 0.0981 90.3734 111.9200
770 CA LEU 118 0.1299 96.9295 106.0100
778 CA VAL 119 0.0611 82.7619 91.8900
785 CA LYS 120 0.0545 81.4049 102.5300
794 CA PHE 121 0.0269 75.7311 101.8600
805 CA THR 122 0.0248 75.3055 88.9600
812 CA LEU 123 0.0169 73.6874 84.2000
820 CA SER 124 0.0186 74.0298 78.8600
826 CA GLU 125 0.0166 73.6192 87.0100
835 CA ILE 126 0.0107 72.4052 72.3600
843 CA LYS 127 0.0100 72.2570 77.2300
852 CA ARG 128 0.0114 72.5553 70.5900
863 CA VAL 129 0.0094 72.1328 65.1800
870 CA MET 130 0.0070 71.6416 66.7100
878 CA GLN 131 0.0088 72.0228 56.5900
887 CA MET 132 0.0091 72.0848 55.6500
895 CA LEU 133 0.0078 71.8124 55.4000
903 CA LEU 134 0.0078 71.8099 50.5000
911 CA ASN 135 0.0097 72.1951 43.9000
919 CA GLY 136 0.0096 72.1786 47.7700
923 CA LEU 137 0.0088 72.0070 48.3500
931 CA TYR 138 0.0134 72.9576 41.9100
943 CA TYR 139 0.0132 72.9228 39.9100
955 CA ILE 140 0.0112 72.5081 57.0500
963 CA HIS 141 0.0118 72.6396 48.7200
973 CA ARG 142 0.0243 75.1969 45.5400
984 CA ASN 143 0.0185 74.0167 45.6800
992 CA LYS 144 0.0197 74.2500 49.9400
1001 CA ILE 145 0.0131 72.8981 43.6100
1009 CA LEU 146 0.0098 72.2223 47.9800
1017 CA HIS 147 0.0094 72.1446 53.7300
1027 CA ARG 148 0.0098 72.2146 59.6600
1038 CA ASP 149 0.0107 72.4006 59.2800
1046 CA MET 150 0.0081 71.8702 61.6600
1054 CA LYS 151 0.0094 72.1416 76.1700
1063 CA ALA 152 0.0113 72.5294 74.9200
1068 CA ALA 153 0.0143 73.1556 72.5800
1073 CA ASN 154 0.0112 72.5128 63.0700
1081 CA VAL 155 0.0107 72.4059 53.5300
1088 CA LEU 156 0.0133 72.9375 60.3700
1096 CA ILE 157 0.0152 73.3281 76.4800
1104 CA THR 158 0.0232 74.9675 73.7600
1111 CA ARG 159 0.0335 77.1028 94.4400
1122 CA ASP 160 0.0568 81.8853 71.7700
1130 CA GLY 161 0.0286 76.0972 67.7800
1134 CA VAL 162 0.0188 74.0750 59.7300
1141 CA LEU 163 0.0134 72.9532 59.4200
1149 CA LYS 164 0.0113 72.5236 55.6000
1158 CA LEU 165 0.0101 72.2899 51.8500
1166 CA ALA 166 0.0111 72.4863 49.3800
1171 CA ASP 167 0.0117 72.6148 65.0400
1179 CA PHE 168 0.0121 72.6844 58.6900
1190 CA GLY 169 0.0148 73.2497 42.7000
1194 CA LEU 170 0.0146 73.2158 56.1600
1202 CA ALA 171 0.0130 72.8691 45.6700
1207 CA ARG 172 0.0156 73.4102 51.4600
1218 CA ALA 173 0.0181 73.9243 54.9400
1223 CA PHE 174 0.0239 75.1163 54.5800
1234 CA SER 175 0.0408 78.5967 98.0500
1240 CA LEU 176 0.1608 103.2689 136.5900
1248 CA PRO 182 0.1428 99.5671 132.5800
1255 CA ASN 183 0.0507 80.6372 103.6100
1263 CA ARG 184 0.0547 81.4511 100.5100
1274 CA TYR 185 0.0317 76.7205 89.3800
1286 CA ASN 187 0.0233 74.9946 100.5700
1294 CA ARG 188 0.0334 77.0802 122.3900
1305 CA VAL 189 0.0145 73.1874 88.4200
1312 CA VAL 190 0.0126 72.7932 82.2900
1319 CA THR 191 0.0162 73.5397 84.3800
1326 CA LEU 192 0.0162 73.5433 90.2800
1334 CA TRP 193 0.0142 73.1323 75.6300
1348 CA TYR 194 0.0092 72.0882 76.5400
1360 CA ARG 195 0.0096 72.1895 81.0200
1371 CA PRO 196 0.0075 71.7489 79.9900
1378 CA PRO 197 0.0092 72.0961 90.5600
1385 CA GLU 198 0.0101 72.2777 89.0500
1394 CA LEU 199 0.0123 72.7424 89.5500
1402 CA LEU 200 0.0144 73.1622 92.9400
1410 CA LEU 201 0.0196 74.2338 92.5400
1418 CA GLY 202 0.0266 75.6669 103.6400
1422 CA GLU 203 0.0252 75.3840 87.7800
1431 CA ARG 204 0.0258 75.5022 83.7700
1442 CA ASP 205 0.0270 75.7665 88.7200
1450 CA TYR 206 0.0196 74.2422 78.2300
1462 CA GLY 207 0.0113 72.5234 65.1600
1466 CA PRO 208 0.0086 71.9744 59.5000
1473 CA PRO 209 0.0069 71.6159 63.9800
1480 CA ILE 210 0.0065 71.5402 70.2300
1488 CA ASP 211 0.0062 71.4881 61.0300
1496 CA LEU 212 0.0052 71.2798 64.1700
1504 CA TRP 213 0.0050 71.2242 68.1300
1518 CA GLY 214 0.0063 71.5033 71.5000
1522 CA ALA 215 0.0056 71.3485 58.4400
1527 CA GLY 216 0.0048 71.1967 75.5500
1531 CA CYS 217 0.0061 71.4528 76.2600
1537 CA ILE 218 0.0065 71.5403 69.0700
1545 CA MET 219 0.0065 71.5420 72.0700
1553 CA ALA 220 0.0073 71.7094 81.9700
1558 CA GLU 221 0.0094 72.1382 84.1100
1567 CA MET 222 0.0090 72.0662 81.9300
1575 CA TRP 223 0.0124 72.7558 85.8000
1589 CA THR 224 0.0151 73.3078 98.1400
1596 CA ARG 225 0.0168 73.6591 95.5600
1607 CA SER 226 0.0202 74.3530 102.8500
1613 CA PRO 227 0.0149 73.2722 93.6400
1620 CA ILE 228 0.0131 72.8897 88.3100
1628 CA MET 229 0.0165 73.5907 94.7600
1636 CA GLN 230 0.0243 75.1956 112.3100
1645 CA GLY 231 0.0284 76.0511 122.4100
1649 CA ASN 232 0.0581 82.1451 125.0800
1657 CA THR 233 0.0433 79.1046 119.5500
1664 CA GLU 234 0.0300 76.3756 106.2000
1673 CA GLN 235 0.0455 79.5590 121.9700
1682 CA HIS 236 0.0361 77.6356 106.1200
1692 CA GLN 237 0.0185 74.0019 100.8200
1701 CA LEU 238 0.0180 73.8980 109.9100
1709 CA ALA 239 0.0243 75.2040 110.8000
1714 CA LEU 240 0.0212 74.5575 103.1500
1722 CA ILE 241 0.0135 72.9913 101.7200
1730 CA SER 242 0.0176 73.8235 111.3700
1736 CA GLN 243 0.0229 74.9210 117.5200
1745 CA LEU 244 0.0172 73.7440 99.1000
1753 CA CYS 245 0.0144 73.1596 108.4700
1759 CA GLY 246 0.0214 74.6116 115.7500
1763 CA SER 247 0.0258 75.5156 130.9500
1769 CA ILE 248 0.0238 75.1061 121.0200
1777 CA THR 249 0.0449 79.4353 134.0000
1784 CA PRO 250 0.0525 81.0106 124.2200
1791 CA GLU 251 0.0807 86.7958 121.7000
1800 CA VAL 252 0.0425 78.9479 105.4700
1807 CA TRP 253 0.0299 76.3601 103.5600
1821 CA PRO 254 0.0515 80.8048 107.9700
1828 CA ASN 255 0.0926 89.2589 122.5500
1836 CA VAL 256 0.0464 79.7439 110.7400
1843 CA ASP 257 0.0860 87.8884 142.5500
1851 CA ASN 258 0.1247 95.8551 130.8100
1859 CA TYR 259 0.1407 99.1476 131.6900
1871 CA LEU 267 0.0530 81.1026 132.1200
1879 CA VAL 268 0.0526 81.0203 157.9400
1886 CA LYS 269 0.0986 90.4783 151.0300
1895 CA GLY 270 0.1155 93.9574 151.4800
1899 CA GLN 271 0.0450 79.4625 152.7400
1908 CA LYS 272 0.0501 80.5155 143.2100
1917 CA ARG 273 0.0255 75.4559 131.3400
1928 CA LYS 274 0.0287 76.1035 109.4800
1937 CA VAL 275 0.0182 73.9426 90.2700
1944 CA LYS 276 0.0192 74.1529 104.4300
1953 CA ASP 277 0.0328 76.9522 118.8800
1961 CA ARG 278 0.0260 75.5626 108.9500
1972 CA LEU 279 0.0193 74.1813 90.6400
1980 CA LYS 280 0.0321 76.8159 103.4600
1989 CA ALA 281 0.0340 77.2010 112.0200
1994 CA TYR 282 0.0261 75.5806 91.1400
2006 CA VAL 283 0.0221 74.7424 102.7000
2013 CA ARG 284 0.0373 77.8765 104.6500
2024 CA ASP 285 0.0211 74.5406 87.2400
2032 CA PRO 286 0.0236 75.0591 90.7300
2039 CA TYR 287 0.0166 73.6181 90.5700
2051 CA ALA 288 0.0114 72.5513 86.1700
2056 CA LEU 289 0.0132 72.9293 91.5400
2064 CA ASP 290 0.0141 73.1097 83.0800
2072 CA LEU 291 0.0083 71.9212 73.1100
2080 CA ILE 292 0.0073 71.7167 75.0300
2088 CA ASP 293 0.0093 72.1270 92.4500
2096 CA LYS 294 0.0090 72.0636 84.3300
2105 CA LEU 295 0.0054 71.3101 69.1600
2113 CA LEU 296 0.0057 71.3679 83.9000
2121 CA VAL 297 0.0087 71.9980 79.4400
2128 CA LEU 298 0.0087 71.9904 79.4100
2136 CA ASP 299 0.0139 73.0644 86.9500
2144 CA PRO 300 0.0125 72.7713 81.4000
2151 CA ALA 301 0.0319 76.7574 83.4700
2156 CA GLN 302 0.0295 76.2688 84.9900
2165 CA ARG 303 0.0082 71.8917 73.8100
2176 CA ILE 304 0.0088 72.0161 64.8300
2184 CA ASP 305 0.0117 72.6137 62.3400
2192 CA SER 306 0.0093 72.1244 62.6100
2198 CA ASP 307 0.0200 74.3262 62.1100
2206 CA ASP 308 0.0167 73.6422 72.1700
2214 CA ALA 309 0.0103 72.3299 62.0000
2219 CA LEU 310 0.0114 72.5548 62.5300
2227 CA ASN 311 0.0220 74.7373 69.3000
2235 CA HIS 312 0.0158 73.4630 71.1100
2245 CA ASP 313 0.0221 74.7532 85.2900
2253 CA PHE 314 0.0135 72.9818 78.8500
2264 CA PHE 315 0.0155 73.3908 71.6200
2275 CA TRP 316 0.0274 75.8441 79.5200
2289 CA SER 317 0.0340 77.2022 86.1200
2295 CA ASP 318 0.0515 80.7991 99.7400
2303 CA PRO 319 0.0352 77.4520 83.9900
2310 CA MET 320 0.0302 76.4239 79.5700
2318 CA PRO 321 0.0185 74.0173 82.7100
2325 CA SER 322 0.0253 75.4003 84.3600
2331 CA ASP 323 0.0373 77.8711 93.0500
2339 CA LEU 324 0.0312 76.6237 97.3200
2347 CA LYS 325 0.1102 92.8703 128.2900

If you find results from this site helpful for your research, please cite one of our papers:

K. Suhre & Y.H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
K. Suhre & Y.H. Sanejouand, On the potential of normal mode analysis for solving difficult molecular replacement problems. Acta Cryst. D vol.60, p796-799, 2004 © International Union of Crystallography.

elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.

Should you encounter any unexpected behaviour, please let us know.